3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

C26H25F9N8O6 — CID 155844118

IUPAC3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(Cc5cccnc5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N8.3C2HF3O2/c1-25-15-17(12-24-25)18-13-23-20-19(22-5-6-28(18)20)27-9-7-26(8-10-27)14-16-3-2-4-21-11-16;3*3-2(4,5)1(6)7/h2-6,11-13,15H,7-10,14H2,1H3;3*(H,6,7)
InChIKeyYFMHKRBKGWGSTJ-UHFFFAOYSA-N
MW716.52 g/mol
LogP3.75
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155844118) has the molecular formula C26H25F9N8O6 and a molecular weight of 716.52 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID155844118
Molecular FormulaC26H25F9N8O6
Molecular Weight716.52 g/mol
Exact Mass716.18
IUPAC Name3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cnc3c(N4CCN(Cc5cccnc5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N8.3C2HF3O2/c1-25-15-17(12-24-25)18-13-23-20-19(22-5-6-28(18)20)27-9-7-26(8-10-27)14-16-3-2-4-21-11-16;3*3-2(4,5)1(6)7/h2-6,11-13,15H,7-10,14H2,1H3;3*(H,6,7)
InChIKeyYFMHKRBKGWGSTJ-UHFFFAOYSA-N
XLogP3.75
TPSA179.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

8-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155842692
8-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155848563
8-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155831401
8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155823488
8-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155862026
8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155833707
3-(3-methoxyphenyl)-8-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171696459
8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155826903
3-(4-methoxyphenyl)-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155836080
7-ethyl-3-(1-methylpyrazol-4-yl)-1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tetrakis(2,2,2-trifluoroacetic acid)
CID 155841425
8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 171689911
3-(3-fluorophenyl)-8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155840422

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 155844118) is 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cnc3c(N4CCN(Cc5cccnc5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is YFMHKRBKGWGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8.3C2HF3O2/c1-25-15-17(12-24-25)18-13-23-20-19(22-5-6-28(18)20)27-9-7-26(8-10-27)14-16-3-2-4-21-11-16;3*3-2(4,5)1(6)7/h2-6,11-13,15H,7-10,14H2,1H3;3*(H,6,7).
What are the key properties of 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 716.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155844118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).